CAS 883731-61-1

1 2D Structure

CAS 883731-61-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[1-(fluoromethyl)cyclopropyl]methanol

2.1.2 InChI

InChI=1S/C5H9FO/c6-3-5(4-7)1-2-5/h7H,1-4H2

2.1.3 InChI Key

IRFLMQHCAJMPCS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC1(CO)CF

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 883731-61-1

2. (1-fluoromethyl-cyclopropyl)-methanol

3. [1-(fluoromethyl)cyclopropyl]methanol

4. Starbld0017101

5. Amot0379

6. Schembl1752414

7. Mfcd09909934

8. Zinc91305940

9. Akos006313068

10. Am806545

11. As-32321

12. Cs-0054281

2.3 Create Date

2012-01-24

3 Chemical and Physical Properties

Molecular Formula	C₅H₉FO
Molecular Weight	104.12 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	104.063743068 g/mol
Monoisotopic Mass	104.063743068 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	68.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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